M770-0312 Screening compound: 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-fluoro-5-[(4-methylphenyl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one

M770-0312 Screening compound: 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-fluoro-5-[(4-methylphenyl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one
M770-0312 Screening compound: 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-fluoro-5-[(4-methylphenyl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M770-0312
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-fluoro-5-[(4-methylphenyl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

M770-0312

Molecular Formula

C23H20FN5O2 (C23 H20 FN5 O2)

Compound Name

3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-fluoro-5-[(4-methylphenyl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

3-[(3-ethyl-124-oxadiazol-5-yl)methyl]-8-fluoro-5-[(4-methylphenyl)methyl]-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

CCc1noc(CN(C=Nc2c3n(Cc4ccc(C)cc4)c(cc4)c2cc4F)C3=O)n1

InChI

InChI=1S/C23H20FN5O2/c1-3-19-26-20(31-27-19)12-28-13-25-21-17-10-16(24)8-9-18(17)29(22(21)23(28)30)11-15-6-4-14(2)5-7-15/h4-10,13H,3,11-12H2,1-2H3

InChI Key

CSDUQKASSTUSLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27553667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.158

Distribution Coefficient, logD

4.158

Water Solubility, LogSw

-4.18

Polar Surface Area

57.533

Acid Dissociation Constant (pKa)

25.73

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

M770-0312 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M770-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M770-0312?
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What is the minimum amount of M770-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M770-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M770-0312
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of M770-0312 available by request